(E)-3-[3-(3-bromanyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-1-(4-chlorophenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-(3-bromanyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-1-(4-chlorophenyl)prop-2-en-1-one Openeye Name: (E)-3-[3-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-1-(4-chlorophenyl)prop-2-en-1-one CAS Name: (E)-3-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-1-(4-chlorophenyl)-2-propen-1-one IUPAC Name: (E)-3-[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-(4-chlorophenyl)prop-2-en-1-one Traditional Name: (E)-3-[3-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-1-(4-chlorophenyl)prop-2-en-1-one Formula: C25H18BrClN2O2 MolecularWeight: 493.77962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)Br

InChI

InChI=1S/C25H18BrClN2O2/c1-31-24-14-10-18(15-22(24)26)25-19(16-29(28-25)21-5-3-2-4-6-21)9-13-23(30)17-7-11-20(27)12-8-17/h2-16H,1H3/b13-9+